Vitas-M small molecule compound

N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl}-4-(morpholin-4-yl)-3-nitrobenzamide

Catalog ID
STK412223
SMILES CCc1ccc2c(c1)nc(o2)c1cc(NC(=S)NC(=O)c2ccc(c(c2)[N+](=O)[O-])N2CCOCC2)cc(c1O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C28H27N5O6S MW 561.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O6S/c1-3-17-4-7-24-21(13-17)30-27(39-24)20-15-19(12-16(2)25(20)34)29-28(40)31-26(35)18-5-6-22(23(14-18)33(36)37)32-8-10-38-11-9-32/h4-7,12-15,34H,3,8-11H2,1-2H3,(H2,29,31,35,40)
InChIKey
VHLKCILGEGNNHY-UHFFFAOYSA-N
Synonyms

CCc1ccc2c(c1)nc(o2)c1cc(NC(=S)NC(=O)c2ccc(c(c2)(N+)(=O)(O))N2CCOCC2)cc(c1O)C
MFCD06621995
N((3(5ethyl13benzoxazol2yl)4hydroxy5methylphenyl)carbamothioyl)4(morpholin4yl)3nitrobenzamide
ZINC000059608607

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.